Dilyana Dimova

发表

Advances in Activity Cliff Research

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2016, Molecular informatics.

Rationalizing Promiscuity Cliffs

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2018, ChemMedChem.

Quantifying the Fingerprint Descriptor Dependence of Structure-Activity Relationship Information on a Large Scale

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2013, J. Chem. Inf. Model..

Application of a New Scaffold Concept for Computational Target Deconvolution of Chemical Cancer Cell Line Screens

Jürgen Bajorath, Dilyana Dimova, Ryo Kunimoto, 2017, ACS omega.

Data sets for orthologous target pair analysis

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2015 .

Is scaffold hopping a reliable indicator for the ability of computational methods to identify structurally diverse active compounds?

Jürgen Bajorath, Dilyana Dimova, 2017, Journal of Computer-Aided Molecular Design.

Activity cliff clusters as a source of structure–activity relationship information

Jürgen Bajorath, Ye Hu, Dilyana Dimova, 2015, Expert opinion on drug discovery.

Redundancy in two major compound databases.

Jürgen Bajorath, Martin Vogt, Dilyana Dimova, 2018, Drug discovery today.

SPASS Version 3.5

Christoph Weidenbach, Martin Suda, Dilyana Dimova, 2009, CADE.

Design of Multitarget Activity Landscapes That Capture Hierarchical Activity Cliff Distributions

Anne Mai Wassermann, Mathias Wawer, Jürgen Bajorath, 2011, J. Chem. Inf. Model..

Systematic design of analogs of active compounds covering more than 1000 targets

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2016 .

Composition and Topology of Activity Cliff Clusters Formed by Bioactive Compounds

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2014, J. Chem. Inf. Model..

Navigating High-Dimensional Activity Landscapes: Design and Application of the Ligand-Target Differentiation Map

Jürgen Bajorath, Preeti Iyer, Martin Vogt, 2012, J. Chem. Inf. Model..

Design of multi-target activity landscapes that capture hierarchical activity cliff distributions

Jürgen Bajorath, Dilyana Dimova, 2012, Journal of Cheminformatics.

Visualization of multi-property landscapes for compound selection and optimization

Jürgen Bajorath, Thomas Schultz, Dilyana Dimova, 2015, Journal of Computer-Aided Molecular Design.

Large-Scale Assessment of Activity Landscape Feature Probabilities of Bioactive Compounds

Jürgen Bajorath, Preeti Iyer, Dilyana Dimova, 2014, J. Chem. Inf. Model..

Compound Pathway Model To Capture SAR Progression: Comparison of Activity Cliff-Dependent and -Independent Pathways

Kathrin Heikamp, Jürgen Bajorath, Dilyana Dimova, 2013, J. Chem. Inf. Model..

Collection Of Analog Series-Based (Asb) Scaffolds

Jürgen Bajorath, Dilyana Dimova, 2017 .

Assessing Scaffold Diversity of Kinase Inhibitors Using Alternative Scaffold Concepts and Estimating the Scaffold Hopping Potential for Different Kinases

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2017, Molecules.

Extraction of SAR information from activity cliff clusters via matching molecular series.

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2014, European journal of medicinal chemistry.

Computational design of new molecular scaffolds for medicinal chemistry, part II: generalization of analog series-based scaffolds

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2017, Future science OA.

Do medicinal chemists learn from activity cliffs? A systematic evaluation of cliff progression in evolving compound data sets.

Kathrin Heikamp, Jürgen Bajorath, Dilyana Dimova, 2013, Journal of medicinal chemistry.

Collection of analog series-based scaffolds from public compound sources

Jürgen Bajorath, Dilyana Dimova, 2018, Future science OA.

Analog series-based scaffolds: computational design and exploration of a new type of molecular scaffolds for medicinal chemistry

Jürgen Bajorath, Ye Hu, Dilyana Dimova, 2016, Future science OA.

Recent progress in understanding activity cliffs and their utility in medicinal chemistry.

Jürgen Bajorath, Ye Hu, Dilyana Dimova, 2014, Journal of medicinal chemistry.

Identification of Orthologous Target Pairs with Shared Active Compounds and Comparison of Organism‐specific Activity Patterns

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2015, Chemical biology & drug design.

Highly Promiscuous Small Molecules from Biological Screening Assays Include Many Pan-Assay Interference Compounds but Also Candidates for Polypharmacology.

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2016, Journal of medicinal chemistry.

Assessing the target differentiation potential of imidazole-based protein kinase inhibitors.

Jürgen Bajorath, Stefan Laufer, Preeti Iyer, 2012, Journal of medicinal chemistry.

Classification of matching molecular series on the basis of SAR phenotypes and structural relationships

Jürgen Bajorath, Dilyana Dimova, Adhideb Ghosh, 2016 .

Computational Method for the Systematic Identification of Analog Series and Key Compounds Representing Series and Their Biological Activity Profiles.

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2016, Journal of medicinal chemistry.

Systematic assessment of coordinated activity cliffs formed by kinase inhibitors and detailed characterization of activity cliff clusters and associated SAR information.

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2015, European journal of medicinal chemistry.

Method for the evaluation of structure-activity relationship information associated with coordinated activity cliffs.

Jürgen Bajorath, Dilyana Dimova, Dagmar Stumpfe, 2014, Journal of medicinal chemistry.

Computational Chemical Biology: Identification of Small Molecular Probes that Discriminate between Members of Target Protein Families

Jürgen Bajorath, Dilyana Dimova, J. Bajorath, 2012, Chemical biology & drug design.

Advances in Computational Medicinal Chemistry: Matched Molecular Pair Analysis

Anne Mai Wassermann, Jürgen Bajorath, Preeti Iyer, 2012 .

Identification and analysis of promiscuity cliffs formed by bioactive compounds and experimental implications

Jürgen Bajorath, Dilyana Dimova, Erik Gilberg, 2017 .

ChEMBL20 data sets for multi-property landscape analysis

Jürgen Bajorath, Thomas Schultz, Dilyana Dimova, 2015 .

Monitoring the Progression of Structure-Activity Relationship Information during Lead Optimization.

Jürgen Bajorath, Dilyana Dimova, Veerabahu Shanmugasundaram, 2016, Journal of medicinal chemistry.

Comprehensive Analysis of Single‐ and Multi‐Target Activity Cliffs Formed by Currently Available Bioactive Compounds

Jürgen Bajorath, Dilyana Dimova, Anne M Wassermann, 2011, Chemical biology & drug design.

Matched molecular pair analysis of small molecule microarray data identifies promiscuity cliffs and reveals molecular origins of extreme compound promiscuity.

Jürgen Bajorath, Ye Hu, Dilyana Dimova, 2012, Journal of medicinal chemistry.